Geometry & MOs

Info

ID:	315126
PubChem CID:	126624544
Reduced:	SN5H21C23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	132.79
Dipole, Da:	7.63
IP(EA), eV:	-8.81(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-cyclohexylhex-2-enamide

Drug info:

PubChemData

Smile

CC1C=C(C=C(C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C4=CC=CS4

DOS

IR

Vibrations